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1409603 | Other | Inhibition of SARS-CoV-2 pseudoparticle entry in human lung Airway Chip at reported drug Cmax, assessed by qRT-PCR after 48 hrs | Inhibition of SARS-CoV-2 pseudoparticle entry in human lung Airway Chip at reported drug Cmax, assessed by qRT-PCR after 48 hrs | Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303817 | 20200619 | 20200619 | 2157|2165|2520|2719|2800|131411|3005573 | 103169732|103188875|103190631|103628891|104234145|104240781|242568127 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 9606|2697049 | null | 2697049 | 7 | null | 115 | Lung epithelium | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409607 | Confirmatory | IC50 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells). | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303083 | 20200619 | 20220830 | 2536|2805|3121|3559|3652|3715|3957|4091|4413|4829|16362|26987|30323|37542|41684|44093|53232|53389|446727|447043|676352|5280343|5284616|5360696|5362119|5478883|6911989|6918328|9817231|9829523|10113978|10474335|11955716|16195554|16726095|24748573|25126798|44247568|45375953|46907787|49830258|57389999|71549093|73051434|86271238|118598754|121427831|122201421|126961335|129138801|132010322|135398745|135539077|135564749|146047983|146047984|146047985 | 103163840|103164548|103167027|103167216|103170416|103172458|103173857|103175236|103177883|103181943|103195217|103202903|103234890|103237360|103266319|103378026|103477782|103479736|103503415|103508547|103511073|103555944|103556527|103562286|103566848|103581295|103605085|103619997|103623548|103724215|103734272|104241012|104246358|123097007|131281803|134449640|134461021|136942413|163334751|174496643|242402456|312467947|336874558|336889861|336891650|381851019|381854209|381877252|404668490|404679228|404718853|405270161|405270162|405270164|405270165|405270170|405270590 | null | null | null | Curation Efforts|Research and Development | 32353859 | 0 | null | null | 60711|2697049 | 546 | 2697049 | 57 | 16 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409608 | Other | AUC (viral infection %) for SARS-CoV-2 in the Vero E6 cell line at 48 h by immunofluorescence-based assay (detecting the viral NP protein in the nucleus of the Vero E6 cells). | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303085 | 20200619 | 20230629 | 2536|2805|3121|3559|3652|3715|3957|4091|4413|4829|16362|26987|30323|37542|41684|44093|53232|53389|446727|447043|676352|5280343|5284616|5360696|5362119|5478883|6911989|6918328|9817231|9829523|10113978|10474335|11955716|16195554|16726095|24748573|25126798|44247568|45375953|46907787|49830258|57389999|71549093|73051434|86271238|118598754|121427831|122201421|126961335|129138801|132010322|135398745|135539077|135564749|146047983|146047984|146047985 | 103163840|103164548|103167027|103167216|103170416|103172458|103173857|103175236|103177883|103181943|103195217|103202903|103234890|103237360|103266319|103378026|103477782|103479736|103503415|103508547|103511073|103555944|103556527|103562286|103566848|103581295|103605085|103619997|103623548|103724215|103734272|104241012|104246358|123097007|131281803|134449640|134461021|136942413|163334751|174496643|242402456|312467947|336874558|336889861|336891650|381851019|381854209|381877252|404668490|404679228|404718853|405270161|405270162|405270164|405270165|405270170|405270590 | null | null | null | Curation Efforts|Research and Development | 32353859 | 0 | null | null | 60711|2697049 | 546 | 2697049 | 57 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409613 | Other | Selectivity ratio: ratio of AUC (viral infection %) of SARS-CoV-2 in the Vero E6 cell line compared to AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay. | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303091 | 20200619 | 20210802 | 2536|2805|3121|3559|3652|3715|3957|4091|4413|4829|16362|26987|30323|37542|41684|44093|53232|53389|446727|447043|676352|5280343|5284616|5360696|5362119|5478883|6911989|6918328|9817231|9829523|10113978|10474335|11955716|16195554|16726095|24748573|25126798|44247568|45375953|46907787|49830258|57389999|71549093|73051434|86271238|118598754|121427831|122201421|126961335|129138801|132010322|135398745|135539077|135564749|146047983|146047984|146047985 | 103163840|103164548|103167027|103167216|103170416|103172458|103173857|103175236|103177883|103181943|103195217|103202903|103234890|103237360|103266319|103378026|103477782|103479736|103503415|103508547|103511073|103555944|103556527|103562286|103566848|103581295|103605085|103619997|103623548|103724215|103734272|104241012|104246358|123097007|131281803|134449640|134461021|136942413|163334751|174496643|242402456|312467947|336874558|336889861|336891650|381851019|381854209|381877252|404668490|404679228|404718853|405270161|405270162|405270164|405270165|405270170|405270590 | null | Toxicity | null | Curation Efforts|Research and Development | 32353859 | 0 | null | null | null | null | null | 57 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409614 | Other | Overall antiviral activity against SARS-CoV-2 (isolate France/IDF0372/2020) in the Vero E6 cell line at 48 h based on three assays 1) detection of viral RNA by qRT-PCR (targeting the N-gene), 2) plaque assay using lysate 3 days after addition of compound | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303092 | 20200619 | 20210802 | 2536|2562|2805|3121|3559|3689|3715|3957|4091|4201|4413|5959|5994|26987|29435|30323|37542|44093|92305|126388|153241|446541|446727|449241|2287238|5284616|5360696|5362119|6436223|6911989|6918328|9589606|9817231|9829523|9829526|10113978|10474335|16726095|24826799|25126798|44247568|45375953|46907787|49830258|57389999|71549093|86271238|118598754|121427831|122201421|126961335|129138801|132010322|135564749|136662663|145944879|146047983|146047984|146047985 | 103163840|103164548|103167216|103170416|103175608|103177883|103186198|103189004|103202903|103210632|103212386|103216741|103226686|103234890|103237360|103252427|103261008|103266319|103272786|103278185|103321316|103378026|103477782|103508547|103511073|103555944|103562286|103581295|103605085|103605727|103619997|103623548|103724215|103734272|103768137|124960908|131281803|134449640|136942413|163334751|174496643|242343441|312467794|312467947|336874558|336889861|381851019|381854209|381877252|404668490|404679228|404718853|405270161|405270162|405270163|405270164|405270165|405270170|405270590 | null | Toxicity | null | Curation Efforts|Research and Development | 32353859 | 0 | null | null | 60711|2697049 | 546 | 2697049 | 59 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409623 | Confirmatory | IC90 for antiviral activity against SARS-CoV-2 in the Vero E6 cell line by measuring infectious viral titer of supernatent from compound-treated Vero E6 cells by Median Tissue Culture Infectious Dose (TCID)50 by the method of Reed and Muench | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303778 | 20200619 | 20220830 | null | null | null | null | null | Curation Efforts|Research and Development | 32353859 | 0 | null | null | 60711|2697049 | 546 | 2697049 | 3 | 3 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409578 | Confirmatory | Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs | Determination of antiviral efficacy in high-content imaging assay in Vero E6 cells infected with SARS-CoV-2 (USA-WA1/2020 isolate) at MOI 0.75 after 24 hrs | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303815 | 20200619 | 20220830 | null | null | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 546 | 2697049 | 18 | 18 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409579 | Confirmatory | Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr | Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in Vero cells at MOI 0.0125 after 24 hr | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303812 | 20200619 | 20220830 | 237|2165|2536|2719|2800|3191|3598|3955|4046|4066|4477|4746|4756|5452|5475|6536|10206|16779|33630|73078|92727|95168|154257|166548|169870|208898|275182|441207|656630|1069873|2724385|3005573|3033767|3085092|5284373|5284613|6364534|6857793|6918155|16220172|46220502|49803313|49843517|57379345|71496458|121304016|135449332 | 103165858|103169151|103169457|103169732|103171247|103190631|103198077|103210741|103220983|103224092|103225238|103228169|103230651|103266539|103267575|103274161|103378408|103439840|103450658|103458476|103516894|103536664|103556970|103558584|103579643|103593440|103600902|103618544|103628891|103707689|103724215|103770831|123100235|136926964|160668474|160677304|160682217|160687794|160703482|174520514|174522973|242217462|242568127|242651810|242651822|312367127|381838043|405273715 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 50 | 2697049 | 48 | 42 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409582 | Confirmatory | IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells | IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303823 | 20200619 | 20230629 | 3396|6014|6240|6536|12947|60749|64646|67356|68539|83818|123596|253602|441362|441383|2733525|3005572|3246155|5282398|21127119 | 103207344|103224650|103385271|103405309|103415244|103458476|103615376|103619406|103660112|103669325|103676439|103770366|103770658|103770693|103770733|123093976|194161805|242169005|374355352 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 546 | 2697049 | 19 | 12 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409585 | Confirmatory | IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells | IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in SARS-CoV-2 infected Vero E6 cells | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303826 | 20200619 | 20230629 | 3396|6014|6240|6536|12947|60749|64646|67356|68539|83818|123596|253602|441362|441383|2733525|3005572|3246155|5282398|21127119 | 103207344|103224650|103385271|103405309|103415244|103458476|103615376|103619406|103660112|103669325|103676439|103770366|103770658|103770693|103770733|123093976|194161805|242169005|374355352 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 546 | 2697049 | 19 | 10 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409588 | Other | Reduction of viral mRNA (RdRp and N) in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs | Reduction of viral mRNA (RdRp and N) in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs | Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303829 | 20200619 | 20230629 | 12947|83818 | 103415244|103660112 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 546 | 2697049 | 2 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409589 | Other | Reduction of viral replication in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs by TCID50 assay | Reduction of viral replication in SARS-CoV-2 infected Vero E6 cells (at MOI 0.1) after 24 hrs by TCID50 assay | Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303830 | 20200619 | 20230629 | 6240|12947|64646|83818|123596|441362 | 103415244|103619406|103660112|103669325|103676439|242169005 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 546 | 2697049 | 6 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409590 | Other | Reduction of SARS-CoV-2 infection by time of addition assay, with 50uM hydroxychloroquine administered at -2hrs, 0 hrs and 2hrs post-infection | Reduction of SARS-CoV-2 infection by time of addition assay, with 50uM hydroxychloroquine administered at -2hrs, 0 hrs and 2hrs post-infection | Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303831 | 20200619 | 20230629 | 12947 | 103660112 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 546 | 2697049 | 1 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409594 | Other | Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs | Inhibition of cell viability relative to arbidol control (inhibition index > 1 indicates higher activity) measured by fluorescence (OD590nm) in Vero E6 cells infected with SARS-CoV-2 (strain BavPat1) at MOI 0.002 after 72hrs | Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303819 | 20200619 | 20220830 | 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 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 546 | 2697049 | 1518 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409595 | Confirmatory | Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days | Antiviral efficacy against SARS-CoV-2 (strain BavPat1) in Vero E6 cells assessed by inhibition of viral RNA replication measured by RT-PCR after 2 days | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303820 | 20200619 | 20220830 | 4594|12947|17134|56959|71172|71587|123601|130881|131411|197712|213039|447043|5280723|5309446|16219921|54726191|121304016 | 103171219|103175236|103261123|103482101|103557049|103567590|103660112|103770675|103770728|103771044|104234207|104240781|123093754|160693271|242240797|242323040|381838043 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 546 | 2697049 | 17 | 6 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409598 | Other | Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging | Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging | Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303805 | 20200619 | 20230314 | 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 | null | Toxicity | null | Curation Efforts|Research and Development | null | 0 | null | null | 9606|2697049 | 25 | 2697049 | 5616 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409599 | Confirmatory | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells after 48 hours by high content imaging | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303806 | 20200619 | 20220830 | 2049|2880|3823|3926|3957|6084|11103|22324|51166|71821|72331|92727|104827|108144|121926|148195|151193|166558|214347|285033|406563|441362|444025|467825|468595|656641|680502|1712095|2723601|2724387|3038494|4239764|4581100|5282407|5284360|5311180|5351307|5702159|6413301|6918543|9556529|9852519|9864510|9887537|9889366|9910986|10047612|10182969|10223146|11167602|11282283|11513676|11570805|11681588|11978813|12761153|22049997|24775005|25151352|46926973|49806644|53469448|58298316|66576990|121304016|135413553 | 103197668|103197669|103197958|103198077|103209066|103227500|103241564|103241637|103264812|103266319|103269662|103275479|103289379|103304009|103306071|103307406|103310486|103315998|103401596|103464558|103475263|103506281|103535612|103582308|103669325|103672873|103678990|103683969|103689473|103691394|103744991|103770468|103770819|103770848|104247904|123093463|124956564|136923685|136937804|160681960|160682508|160682669|160687891|160692274|160692474|160703517|160703568|160708511|160708744|163314148|163315720|163333106|164141656|164147217|174505180|242179345|242361486|242584970|242591399|312365754|318375450|336907714|374355250|381838043|405270178|405270412|405270614 | null | Toxicity | null | Curation Efforts|Research and Development | null | 0 | null | null | 9606|2697049 | 25 | 2697049 | 67 | 46 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409601 | Other | Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50) | Cytotoxicity index (CI): selectivity for inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells versus toxicity against Caco-2 cells (CC50/IC50) | Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303808 | 20200619 | 20200619 | 2049|2880|3823|3926|3957|6084|11103|22324|51166|71821|72331|92727|104827|108144|121926|148195|151193|166558|214347|285033|406563|441362|444025|467825|468595|656641|680502|1712095|2723601|2724387|3038494|4239764|4581100|5282407|5284360|5311180|5351307|5702159|6413301|6918543|9556529|9852519|9864510|9887537|9889366|9910986|10047612|10182969|10223146|11167602|11282283|11513676|11570805|11681588|11978813|12761153|22049997|24775005|25151352|46926973|49806644|53469448|58298316|66576990|121304016|135413553 | 103197668|103197669|103197958|103198077|103209066|103227500|103241564|103241637|103264812|103266319|103269662|103275479|103289379|103304009|103306071|103307406|103310486|103315998|103401596|103464558|103475263|103506281|103535612|103582308|103669325|103672873|103678990|103683969|103689473|103691394|103744991|103770468|103770819|103770848|104247904|123093463|124956564|136923685|136937804|160681960|160682508|160682669|160687891|160692274|160692474|160703517|160703568|160708511|160708744|163314148|163315720|163333106|164141656|164147217|174505180|242179345|242361486|242584970|242591399|312365754|318375450|336907714|374355250|381838043|405270178|405270412|405270614 | null | Toxicity | null | Curation Efforts|Research and Development | null | 0 | null | null | 9606 | null | null | 67 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409602 | Other | Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs | Inhibition of SARS-CoV-2 pseudoparticle entry in Huh-7 cells, assessed by luciferase assay after 72 hrs | Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303816 | 20200619 | 20200619 | 2157|2165|2520|2719|2800|131411|3005573 | 103169732|103188875|103190631|103628891|104234145|104240781|242568127 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 9606|2697049 | 314 | 2697049 | 7 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409605 | Other | Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits) | Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HRCE cells at MOI 0.4 after 96 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits) | Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303810 | 20200619 | 20220318 | 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 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 9606|2697049 | 129229 | 2697049 | 1629 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409606 | Other | Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits) | Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in Vero cells at MOI 0.08 after 48 hrs (reported as hit score from 0-1 for on-disease vs off-disease activity: scores >0.6 considered hits) | Target ChEMBL ID: CHEMBL4303835_||_ChEMBL Target Name: SARS-CoV-2_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303811 | 20200619 | 20210302 | 2536|2719|3559|3715|4217|10281|12947|37542|57469|65663|92727|131411|176077|213039|392622|449381|492405|637568|3034034|5281718|5362440|6398764|6975516|9882882|11625818|23680530|25151504|25242512|44468216|46216796|121304016|135398748 | 103163840|103167216|103169732|103179607|103198077|103244854|103255258|103329495|103383455|103396795|103401549|103512718|103550738|103554703|103567639|103619997|103660112|103724215|103771064|104234161|104234207|104240781|104248688|124966023|160667005|160678787|160692925|160697744|163315619|194161762|318373795|381838043 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711|2697049 | 50 | 2697049 | 32 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409593 | Other | Reduction of viral titer in SARS-CoV (MA15) infected mouse lung, assessed by plaque assay after 4 days | Reduction of viral titer in SARS-CoV (MA15) infected mouse lung, assessed by plaque assay after 4 days | Target ChEMBL ID: CHEMBL4303836_||_ChEMBL Target Name: SARS-CoV_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303834 | 20200619 | 20200619 | 6240|83818 | 103415244|103676439 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 10090|694009 | null | 694009 | 2 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409609 | Other | Cytotoxicity of compound against Vero E6 cells by MTT assay. | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL4303840_||_ChEMBL Target Name: Vero C1008_||_ChEMBL Target Type: CELL-LINE - Target is a specific cell-line_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303086 | 20200619 | 20210802 | 2536|2805|3121|3559|3652|3715|3957|4091|4413|4829|16362|26987|30323|37542|41684|44093|53232|53389|446727|447043|676352|5280343|5284616|5360696|5362119|5478883|6911989|6918328|9817231|9829523|10113978|10474335|11955716|16195554|16726095|24748573|25126798|44247568|45375953|46907787|49830258|57389999|71549093|73051434|86271238|118598754|121427831|122201421|126961335|129138801|132010322|135398745|135539077|135564749|146047983|146047984|146047985 | 103163840|103164548|103167027|103167216|103170416|103172458|103173857|103175236|103177883|103181943|103195217|103202903|103234890|103237360|103266319|103378026|103477782|103479736|103503415|103508547|103511073|103555944|103556527|103562286|103566848|103581295|103605085|103619997|103623548|103724215|103734272|104241012|104246358|123097007|131281803|134449640|134461021|136942413|163334751|174496643|242402456|312467947|336874558|336889861|336891650|381851019|381854209|381877252|404668490|404679228|404718853|405270161|405270162|405270164|405270165|405270170|405270590 | null | Toxicity | null | Curation Efforts|Research and Development | 32353859 | 0 | null | null | 60711 | 546 | null | 57 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409610 | Confirmatory | Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL1916_||_ChEMBL Target Name: Alpha-2c adrenergic receptor_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303088 | 20200619 | 20220830 | 2719|3652|26987|9817231|10474335 | 103169732|103237360|103566848|103605085|381854209 | 152 | null | P18825 | Curation Efforts|Research and Development | 32353859 | 0 | null | P18825 | 9606 | null | null | 5 | 4 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409611 | Other | AUC (cytotoxicity %) of compound against Vero E6 cells by MTT assay. | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL4303840_||_ChEMBL Target Name: Vero C1008_||_ChEMBL Target Type: CELL-LINE - Target is a specific cell-line_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303089 | 20200619 | 20210802 | 2536|2805|3121|3559|3652|3715|3957|4091|4413|4829|16362|26987|30323|37542|41684|44093|53232|53389|446727|447043|676352|5280343|5284616|5360696|5362119|5478883|6911989|6918328|9817231|9829523|10113978|10474335|11955716|16195554|16726095|24748573|25126798|44247568|45375953|46907787|49830258|57389999|71549093|73051434|86271238|118598754|121427831|122201421|126961335|129138801|132010322|135398745|135539077|135564749|146047983|146047984|146047985 | 103163840|103164548|103167027|103167216|103170416|103172458|103173857|103175236|103177883|103181943|103195217|103202903|103234890|103237360|103266319|103378026|103477782|103479736|103503415|103508547|103511073|103555944|103556527|103562286|103566848|103581295|103605085|103619997|103623548|103724215|103734272|104241012|104246358|123097007|131281803|134449640|134461021|136942413|163334751|174496643|242402456|312467947|336874558|336889861|336891650|381851019|381854209|381877252|404668490|404679228|404718853|405270161|405270162|405270164|405270165|405270170|405270590 | null | Toxicity | null | Curation Efforts|Research and Development | 32353859 | 0 | null | null | 60711 | 546 | null | 57 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409612 | Confirmatory | Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL216_||_ChEMBL Target Name: Muscarinic acetylcholine receptor M1_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303090 | 20200619 | 20220830 | 2719|3652|26987|9817231|10474335 | 103169732|103237360|103566848|103605085|381854209 | 1128 | null | P11229 | Curation Efforts|Research and Development | 32353859 | 0 | null | P11229 | 9606 | null | null | 5 | 2 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409615 | Confirmatory | Displacement of [3H]-DTG from the Sigma2 receptor | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL4105907_||_ChEMBL Target Name: Sigma intracellular receptor 2_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303093 | 20200619 | 20220830 | null | null | 27346 | null | Q5BJF2 | Curation Efforts|Research and Development | 32353859 | 0 | null | Q5BJF2 | 9606 | null | null | 6 | 6 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409616 | Confirmatory | Displacement of [3H]-pentazocin from the Sigma1 receptor | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL287_||_ChEMBL Target Name: Sigma opioid receptor_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303094 | 20200619 | 20220830 | null | null | 10280 | null | Q99720 | Curation Efforts|Research and Development | 32353859 | 0 | null | Q99720 | 9606 | null | null | 6 | 6 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409617 | Confirmatory | Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL1867_||_ChEMBL Target Name: Alpha-2a adrenergic receptor_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303095 | 20200619 | 20220830 | null | null | 150 | null | P08913 | Curation Efforts|Research and Development | 32353859 | 0 | null | P08913 | 9606 | null | null | 5 | 5 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409618 | Confirmatory | Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL1942_||_ChEMBL Target Name: Alpha-2b adrenergic receptor_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303096 | 20200619 | 20220830 | 2719|3652|26987|9817231|10474335 | 103169732|103237360|103566848|103605085|381854209 | 151 | null | P18089 | Curation Efforts|Research and Development | 32353859 | 0 | null | P18089 | 9606 | null | null | 5 | 2 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409619 | Confirmatory | Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL211_||_ChEMBL Target Name: Muscarinic acetylcholine receptor M2_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303774 | 20200619 | 20220830 | 2719|3652|26987|9817231|10474335 | 103169732|103237360|103566848|103605085|381854209 | 1129 | null | P08172 | Curation Efforts|Research and Development | 32353859 | 0 | null | P08172 | 9606 | null | null | 5 | 4 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409620 | Confirmatory | Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL245_||_ChEMBL Target Name: Muscarinic acetylcholine receptor M3_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303775 | 20200619 | 20220830 | 2719|3652|26987|9817231|10474335 | 103169732|103237360|103566848|103605085|381854209 | 1131 | null | P20309 | Curation Efforts|Research and Development | 32353859 | 0 | null | P20309 | 9606 | null | null | 5 | 3 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409621 | Confirmatory | Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL1821_||_ChEMBL Target Name: Muscarinic acetylcholine receptor M4_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303776 | 20200619 | 20220830 | 2719|3652|26987|9817231|10474335 | 103169732|103237360|103566848|103605085|381854209 | 1132 | null | P08173 | Curation Efforts|Research and Development | 32353859 | 0 | null | P08173 | 9606 | null | null | 5 | 4 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409622 | Confirmatory | Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL2035_||_ChEMBL Target Name: Muscarinic acetylcholine receptor M5_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303777 | 20200619 | 20220830 | 2719|3652|26987|9817231|10474335 | 103169732|103237360|103566848|103605085|381854209 | 1133 | null | P08912 | Curation Efforts|Research and Development | 32353859 | 0 | null | P08912 | 9606 | null | null | 5 | 2 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409624 | Confirmatory | hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Target ChEMBL ID: CHEMBL240_||_ChEMBL Target Name: HERG_||_ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain_||_Relationship Type: D - Direct protein target assigned_||_Confidence: Direct single protein target assigned_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303779 | 20200619 | 20220830 | null | null | 3757 | null | Q12809 | Curation Efforts|Research and Development | 32353859 | 0 | null | Q12809 | 9606 | 45 | null | 5 | 5 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409625 | Other | Selectivity index for SigmaR1/R2 on-target Kd values vs. hERG ion channel | Title: A SARS-CoV-2 protein interaction map reveals targets for drug repurposing_||_Abstract: The novel coronavirus SARS-CoV-2, the causative agent of COVID-19 respiratory disease, has infected over 2.3 million people, killed over 160,000, and caused worldwide social and economic disruption1,2. There are currently no antiviral drugs with proven clinical efficacy, nor are there vaccines for its prevention, and these efforts are hampered by limited knowledge of the molecular details of SARS-CoV-2 infection. To address this, we cloned, tagged and expressed 26 of the 29 SARS-CoV-2 proteins in human cells and identified the human proteins physically associated with each using affinity-purification mass spectrometry (AP-MS), identifying 332 high-confidence SARS-CoV-2-human protein-protein interactions (PPIs). Among these, we identify 66 druggable human proteins or host factors targeted by 69 compounds (29 FDA-approved drugs, 12 drugs in clinical trials, and 28 preclinical compounds). Screening a subset of these in multiple viral assays identified two sets of pharmacological agents that displayed antiviral activity: inhibitors of mRNA translation and predicted regulators of the Sigma1 and Sigma2 receptors. Further studies of these host factor targeting agents, including their combination with drugs that directly target viral enzymes, could lead to a therapeutic regimen to treat COVID-19. | Journal: Nature_||_Year: 2020_||_DOI: 10.1038/s41586-020-2286-9_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303780 | 20200619 | 20200619 | 2719|3652|9817231|10474335 | 103169732|103237360|103566848|381854209 | null | null | null | Curation Efforts|Research and Development | 32353859 | 0 | null | null | null | null | null | 4 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409580 | Confirmatory | Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr | Cell viability measured by CellTiter-Glo assay in Vero cells at MOI 0.05 after 72hr | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL391_||_ChEMBL Target Name: Vero_||_ChEMBL Target Type: CELL-LINE - Target is a specific cell-line_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303813 | 20200619 | 20220830 | 237|2165|2536|2719|2800|3191|3598|3955|4046|4066|4477|4746|4756|5452|5475|6536|10206|16779|33630|73078|92727|95168|154257|166548|169870|208898|275182|441207|656630|1069873|2724385|3005573|3033767|3085092|5284373|5284613|6364534|6857793|6918155|16220172|46220502|49803313|49843517|57379345|71496458|121304016|135449332 | 103165858|103169151|103169457|103169732|103171247|103190631|103198077|103210741|103220983|103224092|103225238|103228169|103230651|103266539|103267575|103274161|103378408|103439840|103450658|103458476|103516894|103536664|103556970|103558584|103579643|103593440|103600902|103618544|103628891|103707689|103724215|103770831|123100235|136926964|160668474|160677304|160682217|160687794|160703482|174520514|174522973|242217462|242568127|242651810|242651822|312367127|381838043|405273715 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711 | 50 | null | 48 | 6 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409581 | Other | Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50) | Selectivity index for antiviral vs cytotoxic activity in Vero cells (CC50/IC50) | Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303814 | 20200619 | 20200619 | 237|2165|2536|2719|2800|3191|3598|3955|4046|4066|4477|4746|4756|5452|5475|6536|10206|16779|33630|73078|92727|95168|154257|166548|169870|208898|275182|441207|656630|1069873|2724385|3005573|3033767|3085092|5284373|5284613|6364534|6857793|6918155|16220172|46220502|49803313|49843517|57379345|71496458|121304016|135449332 | 103165858|103169151|103169457|103169732|103171247|103190631|103198077|103210741|103220983|103224092|103225238|103228169|103230651|103266539|103267575|103274161|103378408|103439840|103450658|103458476|103516894|103536664|103556970|103558584|103579643|103593440|103600902|103618544|103628891|103707689|103724215|103770831|123100235|136926964|160668474|160677304|160682217|160687794|160703482|174520514|174522973|242217462|242568127|242651810|242651822|312367127|381838043|405273715 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | null | null | null | 48 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409583 | Confirmatory | CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells | CC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL4303840_||_ChEMBL Target Name: Vero C1008_||_ChEMBL Target Type: CELL-LINE - Target is a specific cell-line_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303824 | 20200619 | 20220830 | 3396|6014|6240|6536|12947|60749|64646|67356|68539|83818|123596|253602|441362|441383|2733525|3005572|3246155|5282398|21127119 | 103207344|103224650|103385271|103405309|103415244|103458476|103615376|103619406|103660112|103669325|103676439|103770366|103770658|103770693|103770733|123093976|194161805|242169005|374355352 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711 | 546 | null | 19 | 2 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409584 | Other | Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004 | Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.004 | Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303825 | 20200619 | 20200619 | 3396|6014|6240|6536|12947|64646|67356|68539|83818|123596|441362|441383|2733525|3005572|3246155|5282398 | 103207344|103224650|103405309|103415244|103458476|103619406|103660112|103669325|103676439|103770366|103770658|103770693|103770733|194161805|242169005|374355352 | null | Toxicity | null | Curation Efforts|Research and Development | null | 0 | null | null | null | null | null | 16 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409586 | Confirmatory | CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells | CC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 days post-infection in Vero E6 cells | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL4303840_||_ChEMBL Target Name: Vero C1008_||_ChEMBL Target Type: CELL-LINE - Target is a specific cell-line_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303827 | 20200619 | 20220830 | 3396|6014|6240|6536|12947|60749|64646|67356|68539|83818|123596|253602|441362|441383|2733525|3005572|3246155|5282398|21127119 | 103207344|103224650|103385271|103405309|103415244|103458476|103615376|103619406|103660112|103669325|103676439|103770366|103770658|103770693|103770733|123093976|194161805|242169005|374355352 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711 | 546 | null | 19 | 2 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409587 | Other | Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01 | Selectivity index for antiviral activity vs cytotoxicity (CC50/IC50) in Vero E6 cells at MOI 0.01 | Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303828 | 20200619 | 20200619 | 3396|6014|6240|6536|12947|64646|67356|68539|83818|123596|441362|441383|2733525|3005572|3246155|5282398 | 103207344|103224650|103405309|103415244|103458476|103619406|103660112|103669325|103676439|103770366|103770658|103770693|103770733|194161805|242169005|374355352 | null | Toxicity | null | Curation Efforts|Research and Development | null | 0 | null | null | null | null | null | 16 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409591 | Other | Reduction of SARS spike protein-mediated cell fusion using BlaM pseudovirus assay system in BSC1 cells | Reduction of SARS spike protein-mediated cell fusion using BlaM pseudovirus assay system in BSC1 cells | Target ChEMBL ID: CHEMBL4303836_||_ChEMBL Target Name: SARS-CoV_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303832 | 20200619 | 20200619 | 6240|83818 | 103415244|103676439 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 9534|694009 | 579 | 694009 | 2 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409592 | Other | Reduction of weight loss in SARS-CoV (MA15) infected mice after 4 days | Reduction of weight loss in SARS-CoV (MA15) infected mice after 4 days | Target ChEMBL ID: CHEMBL4303836_||_ChEMBL Target Name: SARS-CoV_||_ChEMBL Target Type: ORGANISM - Target is a complete organism_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303833 | 20200619 | 20200619 | 6240|83818 | 103415244|103676439 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | 10090|694009 | null | 694009 | 2 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409596 | Confirmatory | Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm) | Cytotoxicity (CC50) determination in Vero E6 cells measured by fluorescence (OD590nm) | Target ChEMBL ID: CHEMBL4303840_||_ChEMBL Target Name: Vero C1008_||_ChEMBL Target Type: CELL-LINE - Target is a specific cell-line_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303821 | 20200619 | 20200619 | 4594|12947|17134|71172|71587|131411|447043|5280723|5309446|16219921|54726191 | 103171219|103175236|103557049|103567590|103660112|103770728|104240781|123093754|160693271|242240797|242323040 | null | Toxicity | null | Curation Efforts|Research and Development | null | 0 | null | null | 60711 | 546 | null | 11 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409597 | Other | Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50) | Selectivity index for antiviral vs cytotoxic effect in Vero E6 cells (CC50/EC50) | Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303822 | 20200619 | 20200619 | 4594|12947|17134|71172|71587|131411|447043|5280723|5309446|16219921|54726191 | 103171219|103175236|103557049|103567590|103660112|103770728|104240781|123093754|160693271|242240797|242323040 | null | null | null | Curation Efforts|Research and Development | null | 0 | null | null | null | null | null | 11 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409600 | Confirmatory | Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay | Toxicity against Caco-2 cells determined at 48 hours by intracellular ATP concentration using the CellTiter-Glo Luminescent Cell Viability Assay | Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation._||_Target ChEMBL ID: CHEMBL614058_||_ChEMBL Target Name: Caco-2_||_ChEMBL Target Type: CELL-LINE - Target is a specific cell-line_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303807 | 20200619 | 20220830 | 2049|2880|3823|3926|3957|6084|11103|22324|51166|71821|72331|92727|104827|108144|121926|148195|151193|166558|214347|285033|406563|441362|444025|467825|468595|656641|680502|1712095|2723601|2724387|3038494|4239764|4581100|5282407|5284360|5311180|5351307|5702159|6413301|6918543|9556529|9852519|9864510|9887537|9889366|9910986|10047612|10182969|10223146|11167602|11282283|11513676|11570805|11681588|11978813|12761153|22049997|24775005|25151352|46926973|49806644|53469448|58298316|66576990|121304016|135413553 | 103197668|103197669|103197958|103198077|103209066|103227500|103241564|103241637|103264812|103266319|103269662|103275479|103289379|103304009|103306071|103307406|103310486|103315998|103401596|103464558|103475263|103506281|103535612|103582308|103669325|103672873|103678990|103683969|103689473|103691394|103744991|103770468|103770819|103770848|104247904|123093463|124956564|136923685|136937804|160681960|160682508|160682669|160687891|160692274|160692474|160703517|160703568|160708511|160708744|163314148|163315720|163333106|164141656|164147217|174505180|242179345|242361486|242584970|242591399|312365754|318375450|336907714|374355250|381838043|405270178|405270412|405270614 | null | Toxicity | null | Curation Efforts|Research and Development | null | 0 | null | null | 9606 | 25 | null | 67 | 28 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1409604 | Other | Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs | Assessment of cytotoxicity in Huh-7 cells, assessed as % inhibition of cell viability by Celltiter-Glo assay after 48 hrs | Target ChEMBL ID: CHEMBL614039_||_ChEMBL Target Name: Huh-7_||_ChEMBL Target Type: CELL-LINE - Target is a specific cell-line_||_Relationship Type: N - Non-molecular target assigned_||_Confidence: Target assigned is non-molecular_||_Data Source: SARS-CoV-2 Screening Data 2020-21 | 43 | ChEMBL | CHEMBL4303818 | 20200619 | 20200619 | 2157|2165|2520|2719|2800|131411|3005573 | 103169732|103188875|103190631|103628891|104234145|104240781|242568127 | null | Toxicity | null | Curation Efforts|Research and Development | null | 0 | null | null | 9606 | 314 | null | 7 | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from ChEMBL |
1706 | Screening | QFRET-based primary biochemical high throughput screening assay to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro) | Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC)_||_Center Affiliation: The Scripps Research Institute (TSRI)_||_Assay Provider: Valerie Tokars and Andrew Mesecar, University of Illinois at Chicago (UIC)_||_Network: Molecular Libraries Probe Production Centers Network (MLPCN)_||_Grant Proposal Number: 1-R03-MH084162-01A1_||_Grant Proposal PI: Valerie Tokars and Andrew Mesecar, UIC_||_External Assay ID: 3CLPRO_INH_QFRET_1536_%INH_||_Name: QFRET-based primary biochemical high throughput screening assay to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro)_||_Description:_||_Coronaviruses are enveloped, large plus-strand RNA viruses that cause the common cold and other disorders such as lower respiratory tract infections and diarrhea (1). In 2003, the novel SARS coronavirus (SARS-CoV) was identified (2, 3) as the etiological agent of the global epidemic of severe acute respiratory syndrome (SARS), an atypical pneumonia that led to progressive respiratory failure in 8000 individuals and 800 deaths by July of that year (4). The SARS-CoV genome encodes a polypeptide that is proteolytically processed by two main proteases, one of which is the 3C-like protease (3CLpro). This chemotrypsin-like cysteine protease is essential for proteolytic processing of the coronavirus polyprotein and thus viral gene expression (5). The protein exists as a dimer/monomer mixture in solution and the dimer was confirmed to be the active species for the enzyme reaction (6). The current absence of a vaccine to prevent SARS infection, the possibility of future SARS epidemics, the recent cloning and expression of recombinant SARS 3CLpro (7), along with studies showing that 3CLpro is essential for viral life cycle, support a role for 3CL-pro as an important pathogenic component of SARS-CoV. The identification of specific inhibitors of 3CLpro will add insights into the biology of SARS-CoV infection of avian and mammalian cells, and serve as valuable tools for inhibiting SARS-CoV replication._||_References:_||_1. Myint, S.H., Human coronavirus infections, in The Coronaviridae, S.G. Siddell, Editor. 1995, Plenum Press. p. 389-401._||_2. Ksiazek, T.G., Erdman, D., Goldsmith, C.S., Zaki, S.R., Peret, T., Emery, S., Tong, S., Urbani, C., Comer, J.A., Lim, W., Rollin, P.E., Dowell, S.F., Ling, A.E., Humphrey, C.D., Shieh, W.J., Guarner, J., Paddock, C.D., Rota, P., Fields, B., DeRisi, J., Yang, J.Y., Cox, N., Hughes, J.M., LeDuc, J.W., Bellini, W.J., and Anderson, L.J., A novel coronavirus associated with severe acute respiratory syndrome. N Engl J Med, 2003. 348(20): p. 1953-66._||_3. Drosten, C., Gunther, S., Preiser, W., van der Werf, S., Brodt, H.R., Becker, S., Rabenau, H., Panning, M., Kolesnikova, L., Fouchier, R.A., Berger, A., Burguiere, A.M., Cinatl, J., Eickmann, M., Escriou, N., Grywna, K., Kramme, S., Manuguerra, J.C., Muller, S., Rickerts, V., Sturmer, M., Vieth, S., Klenk, H.D., Osterhaus, A.D., Schmitz, H., and Doerr, H.W., Identification of a novel coronavirus in patients with severe acute respiratory syndrome. N Engl J Med, 2003. 348(20): p. 1967-76._||_4. Ziebuhr, J., Molecular biology of severe acute respiratory syndrome coronavirus. Curr Opin Microbiol, 2004. 7(4): p. 412-9._||_5. Yang, H., Bartlam, M., and Rao, Z., Drug design targeting the main protease, the Achilles' heel of coronaviruses. Curr Pharm Des, 2006. 12(35): p. 4573-90._||_6. Lai, L., Han, X., Chen, H., Wei, P., Huang, C., Liu, S., Fan, K., Zhou, L., Liu, Z., Pei, J., and Liu, Y., Quaternary structure, substrate selectivity and inhibitor design for SARS 3C-like proteinase. Curr Pharm Des, 2006. 12(35): p. 4555-64._||_7. Fan, K., Wei, P., Feng, Q., Chen, S., Huang, C., Ma, L., Lai, B., Pei, J., Liu, Y., Chen, J., and Lai, L., Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase. J Biol Chem, 2004. 279(3): p. 1637-42._||_Keywords:_||_3CLpro, 3C-like protease, protease, cysteine protease, coronavirus, virus, SARS, SARS-CoV, primary screen, peptide cleavage, HTS, high throughput screen, 1536, inhibitor, QFRET, quenching fluorescence resonance energy transfer, Scripps, Scripps Florida, The Scripps Research Institute Molecular Screening Center, SRIMSC, Molecular Libraries Probe Production Centers Network, MLPCN. | Due to the increasing size of the MLPCN compound library, this assay may have been run as two or more separate campaigns, each campaign testing a unique set of compounds. In this case the results of each separate campaign were assigned 'Active/Inactive' status based upon that campaign's specific compound activity cutoff value. All data reported were normalized on a per-plate basis. Possible artifacts of this assay can include, but are not limited to: dust or lint located in or on wells of the microtiter plate, compounds that modulate well fluorescence. All test compound concentrations reported above and below are nominal; the specific test concentration(s) for a particular compound may vary based upon the actual sample provided by the MLSMR. | 5 | The Scripps Research Institute Molecular Screening Center | 3CLPRO_INH_QFRET_1536_%INH | 20090501 | 20100615 | 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| null | Biochemical | AAZ82016 | NIH Initiatives | 12690091|12690092|14561748|15358261|17168761|17168763 | 0 | null | AAZ82016 | 11120 | null | null | 290893 | 405 | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from BioAssay |
1859 | Summary | Summary of probe development efforts to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro) | Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC)_||_Center Affiliation: The Scripps Research Institute (TSRI)_||_Assay Provider: Valerie Tokars and Andrew Mesecar, University of Illinois at Chicago (UIC)_||_Network: Molecular Libraries Probe Production Centers Network (MLPCN)_||_Grant Proposal Number: 1-R03-MH084162-01A1_||_Grant Proposal PI: Valerie Tokars and Andrew Mesecar, UIC_||_External Assay ID: 3CLPRO_INH_LEADS_SUMMARY_||_Name: Summary of probe development efforts to identify inhibitors of the SARS coronavirus 3C-like Protease (3CLPro)_||_Description: _||_Coronaviruses are enveloped, large plus-strand RNA viruses that cause the common cold and other disorders such as lower respiratory tract infections and diarrhea (1). In 2003, the novel SARS coronavirus (SARS-CoV) was identified (2, 3) as the etiological agent of the global epidemic of severe acute respiratory syndrome (SARS), an atypical pneumonia that led to progressive respiratory failure in 8000 individuals and 800 deaths by July of that year (4). The SARS-CoV genome encodes a polypeptide that is proteolytically processed by two main proteases, one of which is the 3C-like protease (3CLpro). This chemotrypsin-like cysteine protease is essential for proteolytic processing of the coronavirus polyprotein and thus viral gene expression (5). The protein exists as a dimer/monomer mixture in solution and the dimer was confirmed to be the active species for the enzyme reaction (6). The current absence of a vaccine to prevent SARS infection, the possibility of future SARS epidemics, the recent cloning and expression of recombinant SARS 3CLpro (7), along with studies showing that 3CLpro is essential for viral life cycle, support a role for 3CL-pro as an important pathogenic component of SARS-CoV. The identification of specific inhibitors of 3CLpro will add insights into the biology of SARS-CoV infection of avian and mammalian cells, and serve as valuable tools for inhibiting SARS-CoV replication._||_Summary of Probe Development Effort:_||_Following primary HTS in singlicate to identify 3CLPro inhibitors (AID1706), compounds were identified as possible candidates for probe development. A probe development effort is currently underway at the SRIMSC._||_References:_||_1. Myint, S.H., Human coronavirus infections, in The Coronaviridae, S.G. Siddell, Editor. 1995, Plenum Press. p. 389-401._||_2. Ksiazek, T.G., Erdman, D., Goldsmith, C.S., Zaki, S.R., Peret, T., Emery, S., Tong, S., Urbani, C., Comer, J.A., Lim, W., Rollin, P.E., Dowell, S.F., Ling, A.E., Humphrey, C.D., Shieh, W.J., Guarner, J., Paddock, C.D., Rota, P., Fields, B., DeRisi, J., Yang, J.Y., Cox, N., Hughes, J.M., LeDuc, J.W., Bellini, W.J., and Anderson, L.J., A novel coronavirus associated with severe acute respiratory syndrome. N Engl J Med, 2003. 348(20): p. 1953-66_||_3. Drosten, C., Gunther, S., Preiser, W., van der Werf, S., Brodt, H.R., Becker, S., Rabenau, H., Panning, M., Kolesnikova, L., Fouchier, R.A., Berger, A., Burguiere, A.M., Cinatl, J., Eickmann, M., Escriou, N., Grywna, K., Kramme, S., Manuguerra, J.C., Muller, S., Rickerts, V., Sturmer, M., Vieth, S., Klenk, H.D., Osterhaus, A.D., Schmitz, H., and Doerr, H.W., Identification of a novel coronavirus in patients with severe acute respiratory syndrome. N Engl J Med, 2003. 348(20): p. 1967-76._||_4. Ziebuhr, J., Molecular biology of severe acute respiratory syndrome coronavirus. Curr Opin Microbiol, 2004. 7(4): p. 412-9._||_5. Yang, H., Bartlam, M., and Rao, Z., Drug design targeting the main protease, the Achilles' heel of coronaviruses. Curr Pharm Des, 2006. 12(35): p. 4573-90._||_6. Lai, L., Han, X., Chen, H., Wei, P., Huang, C., Liu, S., Fan, K., Zhou, L., Liu, Z., Pei, J., and Liu, Y., Quaternary structure, substrate selectivity and inhibitor design for SARS 3C-like proteinase. Curr Pharm Des, 2006. 12(35): p. 4555-64._||_7. Fan, K., Wei, P., Feng, Q., Chen, S., Huang, C., Ma, L., Lai, B., Pei, J., Liu, Y., Chen, J., and Lai, L., Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase. J Biol Chem, 2004. 279(3): p. 1637-42._||_Keywords: _||_Summary AID, 3CLpro, 3C-like protease, protease, cysteine protease, coronavirus, virus, SARS, SARS-CoV, primary screen, peptide cleavage, HTS, high throughput screen, 1536, inhibitor, QFRET, quenching fluorescence resonance energy transfer, Scripps, Scripps Florida, The Scripps Research Institute Molecular Screening Center, SRIMSC, Molecular Libraries Probe Production Centers Network, MLPCN. | This probe development project is still underway at the SRIMSC. | 5 | The Scripps Research Institute Molecular Screening Center | 3CLPRO_INH_LEADS_SUMMARY | 20090709 | 20120327 | null | null | null | null | AAZ82016 | NIH Initiatives | 12690091|12690092|14561748|15358261|17168761|17168763 | 0 | null | AAZ82016 | 11120 | null | null | null | null | null | null | COVID-19|COVID19|Coronavirus|Corona-virus|SARS|SARS2|SARS-CoV|SARS-CoV-2|COVID info from BioAssay |
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